2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine

C19H24BrN — CID 68882931

IUPAC2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
SMILESCC(C)(C)c1ccc(CNCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H24BrN/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(20)11-7-15/h4-11,21H,12-14H2,1-3H3
InChIKeySDKABPIWFXXHTB-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.08
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine

2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine (PubChem CID 68882931) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
PubChem CID68882931
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
SMILESCC(C)(C)c1ccc(CNCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H24BrN/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(20)11-7-15/h4-11,21H,12-14H2,1-3H3
InChIKeySDKABPIWFXXHTB-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)ethanamine
CID 68882968
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
N'-[2-(4-tert-butylphenyl)ethyl]methanediamine
CID 115225996
3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
N'-[(4-tert-butylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201880
4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline
CID 101478316
2-[(4-tert-butylphenyl)methylamino]ethanesulfonamide
CID 43552018
1-[(4-bromophenyl)methyl]-3-(4-tert-butylphenyl)urea
CID 108884917
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine (CID 68882931) is 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine is CC(C)(C)c1ccc(CNCCc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine?
The InChIKey is SDKABPIWFXXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(20)11-7-15/h4-11,21H,12-14H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine?
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine is sourced from PubChem (CID 68882931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).